%chk=000003741.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003741

0 1
 I   -2.933600      -1.648900      -1.002500    
 I    2.956100      -1.556400      0.5964000    
 I  -0.1518000       3.675300      9.1700003E-02
 O    5.754000      0.9654000      -1.150900    
 O   -5.874600      0.4888000      0.9967000    
 O    1.918800      -4.819100      -2.626900    
 O    2.534700       1.874400       1.810400    
 O   -2.725100       1.913500      -1.833400    
 O  -0.2365000      -4.668900      0.8902000    
 O    7.936700       1.613900      0.4477000    
 O   -8.097300       1.172500     -0.5305000    
 O  -0.9725000      -3.703000       3.158200    
 N   4.3499999E-02  -2.633500     -0.2623000    
 N    3.152900       1.999000     -0.4210000    
 N   -3.350100       1.757800      0.3950000    
 C   3.9999999E-04  -1.233900     -0.1844000    
 C    1.101900      0.8725000      0.2478000    
 C   -1.229800      0.8359000     -0.3839000    
 C   -1.186900     -0.5561000     -0.4614000    
 C    1.144800     -0.5195000      0.1701000    
 C   0.4012000      -3.308700      -1.543500    
 C  -8.5400000E-02   1.550200     -2.9200001E-02
 C    4.387300       2.721200     -0.2128000    
 C   -4.621400       2.417800      0.2624000    
 C    2.303100       1.622000      0.6197000    
 C   -2.494000       1.557400     -0.6808000    
 C    5.587000       1.799300     -3.5999999E-03
 C   -5.762500       1.452000     -5.1600002E-02
 C  -0.2553000      -3.434500      0.8878000    
 C    1.640400      -4.171800      -1.392100    
 C    6.889200       2.555900      0.2382000    
 C   -7.109500       2.148700     -0.2147000    
 C  -0.6654000      -2.739200       2.173300    
 H  -0.4466000      -3.940200      -1.834700    
 H   0.5374000      -2.562200      -2.334900    
 H    4.534300       3.333000      -1.109800    
 H    4.267200       3.391300      0.6453000    
 H   -4.805200       2.917300       1.220200    
 H   -4.547800       3.185300     -0.5159000    
 H    5.405700       1.126500      0.8430000    
 H   -5.542300      0.8884000     -0.9660000    
 H    2.904300       1.747500      -1.373600    
 H   -3.079800       1.417300       1.313400    
 H    2.529200      -3.592400      -1.177800    
 H    1.539300      -4.947400     -0.6311000    
 H    6.813400       3.199800       1.119700    
 H    7.156100       3.160800     -0.6345000    
 H   -7.411100       2.636900      0.7178000    
 H   -7.076000       2.888700      -1.020100    
 H   0.1569000      -2.120700       2.540300    
 H   -1.552200      -2.124200       2.009600    
 H    4.920900      0.4810000      -1.281800    
 H   -5.012700      4.5400001E-02   1.077400    
 H    2.714800      -5.361800      -2.494400    
 H    8.751300       2.123400      0.5978000    
 H   -8.942200       1.644000     -0.6274000    
 H   -1.211700      -3.221100       3.968200    


%chk=000003741-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003741

0 1
I -2.825395 -1.951068 -1.175550
I 2.849137 -1.699557 1.231235
I -0.144368 3.504042 -0.134969
O 5.367002 1.876867 -1.487640
O -5.482357 1.658386 1.449925
O 1.786685 -4.753258 -2.879325
O 2.195712 1.829199 2.278495
O -2.450422 1.557558 -2.426468
O -0.204317 -4.996260 0.927892
O 7.945665 2.058439 -0.601998
O -8.090606 1.625139 0.649929
O -0.916371 -3.968384 3.329293
N 0.077636 -2.927520 -0.090450
N 3.203844 1.855244 0.171435
N -3.376301 1.665493 -0.285065
C 0.021566 -1.495786 -0.049283
C 1.070128 0.707031 0.433327
C -1.193808 0.615506 -0.564482
C -1.128376 -0.798700 -0.527017
C 1.107722 -0.709536 0.436501
C 0.329945 -3.601236 -1.395942
C -0.082315 1.349822 -0.082471
C 4.397179 2.606103 0.577637
C -4.624907 2.322038 -0.686661
C 2.204805 1.517458 1.048567
C -2.394111 1.324385 -1.181246
C 5.640649 1.955937 -0.042098
C -5.803334 1.632125 0.011697
C -0.253325 -3.744361 1.015446
C 1.768262 -4.122473 -1.548188
C 6.922282 2.760142 0.197119
C -7.142492 2.335674 -0.229998
C -0.704994 -2.987695 2.275169
H -0.356855 -4.460501 -1.481536
H 0.109908 -2.890372 -2.210511
H 4.319727 3.655614 0.229046
H 4.441471 2.603042 1.680323
H -4.599553 3.391741 -0.396516
H -4.705148 2.255866 -1.785291
H 5.775862 0.931749 0.364638
H -5.879270 0.578164 -0.329195
H 3.167119 1.563793 -0.810054
H -3.286068 1.444625 0.711096
H 2.498919 -3.290156 -1.498613
H 1.983790 -4.853347 -0.744440
H 7.184449 2.761988 1.274782
H 6.790417 3.802705 -0.159723
H -7.067836 3.405752 0.054771
H -7.439359 2.249693 -1.295066
H 0.070913 -2.244680 2.555364
H -1.639917 -2.435574 2.029494
H 6.219653 1.626065 -1.930478
H -6.305452 1.384517 1.933463
H 2.613527 -5.286213 -2.980165
H 8.799741 2.555053 -0.583971
H -8.978753 2.057375 0.623691
H -1.184208 -3.491054 4.154875


